USER MOD reduce.3.24.130724 H: found=0, std=0, add=136, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 136 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 VAL N :NH3+ 155:sc= -0.165 (180deg=-0.516) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 16.718 -4.187 -5.073 1.00 0.00 N ATOM 2 CA VAL A 1 17.590 -3.061 -5.499 1.00 0.00 C ATOM 3 C VAL A 1 18.720 -2.836 -4.501 1.00 0.00 C ATOM 4 O VAL A 1 18.821 -3.536 -3.494 1.00 0.00 O ATOM 5 CB VAL A 1 16.786 -1.755 -5.644 1.00 0.00 C ATOM 6 CG1 VAL A 1 15.963 -1.773 -6.922 1.00 0.00 C ATOM 7 CG2 VAL A 1 15.897 -1.538 -4.430 1.00 0.00 C ATOM 0 H1 VAL A 1 15.770 -4.067 -5.484 1.00 0.00 H new ATOM 0 H2 VAL A 1 17.126 -5.086 -5.401 1.00 0.00 H new ATOM 0 H3 VAL A 1 16.647 -4.198 -4.036 1.00 0.00 H new ATOM 0 HA VAL A 1 18.010 -3.333 -6.467 1.00 0.00 H new ATOM 0 HB VAL A 1 17.487 -0.923 -5.704 1.00 0.00 H new ATOM 0 HG11 VAL A 1 15.402 -0.842 -7.007 1.00 0.00 H new ATOM 0 HG12 VAL A 1 16.626 -1.876 -7.781 1.00 0.00 H new ATOM 0 HG13 VAL A 1 15.269 -2.613 -6.896 1.00 0.00 H new ATOM 0 HG21 VAL A 1 15.337 -0.611 -4.550 1.00 0.00 H new ATOM 0 HG22 VAL A 1 15.202 -2.372 -4.334 1.00 0.00 H new ATOM 0 HG23 VAL A 1 16.514 -1.475 -3.534 1.00 0.00 H new ATOM 19 N ARG A 2 19.569 -1.854 -4.789 1.00 0.00 N ATOM 20 CA ARG A 2 20.693 -1.536 -3.918 1.00 0.00 C ATOM 21 C ARG A 2 20.209 -1.144 -2.525 1.00 0.00 C ATOM 22 O ARG A 2 19.013 -1.190 -2.236 1.00 0.00 O ATOM 23 CB ARG A 2 21.529 -0.404 -4.522 1.00 0.00 C ATOM 24 CG ARG A 2 22.970 -0.796 -4.804 1.00 0.00 C ATOM 25 CD ARG A 2 23.139 -1.328 -6.218 1.00 0.00 C ATOM 26 NE ARG A 2 23.841 -2.609 -6.241 1.00 0.00 N ATOM 27 CZ ARG A 2 23.847 -3.433 -7.286 1.00 0.00 C ATOM 28 NH1 ARG A 2 23.192 -3.113 -8.395 1.00 0.00 N ATOM 29 NH2 ARG A 2 24.510 -4.580 -7.222 1.00 0.00 N ATOM 0 H ARG A 2 19.499 -1.265 -5.619 1.00 0.00 H new ATOM 0 HA ARG A 2 21.314 -2.427 -3.827 1.00 0.00 H new ATOM 0 HB2 ARG A 2 21.062 -0.075 -5.450 1.00 0.00 H new ATOM 0 HB3 ARG A 2 21.519 0.447 -3.841 1.00 0.00 H new ATOM 0 HG2 ARG A 2 23.618 0.069 -4.660 1.00 0.00 H new ATOM 0 HG3 ARG A 2 23.288 -1.555 -4.089 1.00 0.00 H new ATOM 0 HD2 ARG A 2 22.159 -1.443 -6.681 1.00 0.00 H new ATOM 0 HD3 ARG A 2 23.690 -0.602 -6.815 1.00 0.00 H new ATOM 0 HE ARG A 2 24.357 -2.888 -5.407 1.00 0.00 H new ATOM 0 HH11 ARG A 2 22.681 -2.232 -8.449 1.00 0.00 H new ATOM 0 HH12 ARG A 2 23.200 -3.748 -9.193 1.00 0.00 H new ATOM 0 HH21 ARG A 2 25.015 -4.830 -6.372 1.00 0.00 H new ATOM 0 HH22 ARG A 2 24.515 -5.212 -8.023 1.00 0.00 H new ATOM 43 N ARG A 3 21.147 -0.759 -1.667 1.00 0.00 N ATOM 44 CA ARG A 3 20.820 -0.359 -0.304 1.00 0.00 C ATOM 45 C ARG A 3 21.860 0.616 0.239 1.00 0.00 C ATOM 46 O ARG A 3 22.124 0.648 1.440 1.00 0.00 O ATOM 47 CB ARG A 3 20.735 -1.590 0.600 1.00 0.00 C ATOM 48 CG ARG A 3 19.953 -1.351 1.883 1.00 0.00 C ATOM 49 CD ARG A 3 20.808 -1.595 3.117 1.00 0.00 C ATOM 50 NE ARG A 3 20.104 -2.387 4.123 1.00 0.00 N ATOM 51 CZ ARG A 3 20.540 -2.561 5.369 1.00 0.00 C ATOM 52 NH1 ARG A 3 21.675 -2.000 5.767 1.00 0.00 N ATOM 53 NH2 ARG A 3 19.838 -3.298 6.218 1.00 0.00 N ATOM 0 H ARG A 3 22.141 -0.716 -1.892 1.00 0.00 H new ATOM 0 HA ARG A 3 19.852 0.142 -0.318 1.00 0.00 H new ATOM 0 HB2 ARG A 3 20.269 -2.405 0.047 1.00 0.00 H new ATOM 0 HB3 ARG A 3 21.744 -1.914 0.855 1.00 0.00 H new ATOM 0 HG2 ARG A 3 19.579 -0.327 1.896 1.00 0.00 H new ATOM 0 HG3 ARG A 3 19.084 -2.008 1.907 1.00 0.00 H new ATOM 0 HD2 ARG A 3 21.724 -2.109 2.827 1.00 0.00 H new ATOM 0 HD3 ARG A 3 21.102 -0.639 3.549 1.00 0.00 H new ATOM 0 HE ARG A 3 19.227 -2.833 3.855 1.00 0.00 H new ATOM 0 HH11 ARG A 3 22.218 -1.432 5.117 1.00 0.00 H new ATOM 0 HH12 ARG A 3 22.004 -2.137 6.723 1.00 0.00 H new ATOM 0 HH21 ARG A 3 18.965 -3.731 5.917 1.00 0.00 H new ATOM 0 HH22 ARG A 3 20.171 -3.432 7.173 1.00 0.00 H new ATOM 67 N PHE A 4 22.447 1.403 -0.662 1.00 0.00 N ATOM 68 CA PHE A 4 23.462 2.382 -0.318 1.00 0.00 C ATOM 69 C PHE A 4 23.216 3.028 1.047 1.00 0.00 C ATOM 70 O PHE A 4 22.465 3.995 1.171 1.00 0.00 O ATOM 71 CB PHE A 4 23.515 3.441 -1.416 1.00 0.00 C ATOM 72 CG PHE A 4 22.473 4.520 -1.287 1.00 0.00 C ATOM 73 CD1 PHE A 4 21.128 4.221 -1.438 1.00 0.00 C ATOM 74 CD2 PHE A 4 22.839 5.828 -1.010 1.00 0.00 C ATOM 75 CE1 PHE A 4 20.168 5.208 -1.319 1.00 0.00 C ATOM 76 CE2 PHE A 4 21.883 6.818 -0.889 1.00 0.00 C ATOM 77 CZ PHE A 4 20.546 6.508 -1.044 1.00 0.00 C ATOM 0 H PHE A 4 22.226 1.374 -1.657 1.00 0.00 H new ATOM 0 HA PHE A 4 24.421 1.869 -0.243 1.00 0.00 H new ATOM 0 HB2 PHE A 4 24.502 3.903 -1.411 1.00 0.00 H new ATOM 0 HB3 PHE A 4 23.397 2.952 -2.383 1.00 0.00 H new ATOM 0 HD1 PHE A 4 20.827 3.206 -1.651 1.00 0.00 H new ATOM 0 HD2 PHE A 4 23.883 6.076 -0.887 1.00 0.00 H new ATOM 0 HE1 PHE A 4 19.123 4.963 -1.441 1.00 0.00 H new ATOM 0 HE2 PHE A 4 22.181 7.833 -0.673 1.00 0.00 H new ATOM 0 HZ PHE A 4 19.797 7.281 -0.950 1.00 0.00 H new ATOM 87 N PRO A 5 23.860 2.501 2.093 1.00 0.00 N ATOM 88 CA PRO A 5 23.721 3.036 3.445 1.00 0.00 C ATOM 89 C PRO A 5 24.373 4.412 3.572 1.00 0.00 C ATOM 90 O PRO A 5 24.415 5.176 2.608 1.00 0.00 O ATOM 91 CB PRO A 5 24.436 1.986 4.305 1.00 0.00 C ATOM 92 CG PRO A 5 25.427 1.359 3.393 1.00 0.00 C ATOM 93 CD PRO A 5 24.781 1.349 2.039 1.00 0.00 C ATOM 0 HA PRO A 5 22.684 3.194 3.741 1.00 0.00 H new ATOM 0 HB2 PRO A 5 24.925 2.445 5.165 1.00 0.00 H new ATOM 0 HB3 PRO A 5 23.734 1.248 4.694 1.00 0.00 H new ATOM 0 HG2 PRO A 5 26.359 1.925 3.378 1.00 0.00 H new ATOM 0 HG3 PRO A 5 25.673 0.348 3.717 1.00 0.00 H new ATOM 0 HD2 PRO A 5 25.516 1.459 1.242 1.00 0.00 H new ATOM 0 HD3 PRO A 5 24.248 0.416 1.855 1.00 0.00 H new ATOM 101 N TRP A 6 24.892 4.715 4.750 1.00 0.00 N ATOM 102 CA TRP A 6 25.566 5.981 4.993 1.00 0.00 C ATOM 103 C TRP A 6 27.001 5.704 5.414 1.00 0.00 C ATOM 104 O TRP A 6 27.725 6.596 5.857 1.00 0.00 O ATOM 105 CB TRP A 6 24.838 6.797 6.070 1.00 0.00 C ATOM 106 CG TRP A 6 24.294 5.973 7.201 1.00 0.00 C ATOM 107 CD1 TRP A 6 23.470 4.890 7.104 1.00 0.00 C ATOM 108 CD2 TRP A 6 24.528 6.177 8.599 1.00 0.00 C ATOM 109 NE1 TRP A 6 23.184 4.401 8.355 1.00 0.00 N ATOM 110 CE2 TRP A 6 23.820 5.175 9.290 1.00 0.00 C ATOM 111 CE3 TRP A 6 25.270 7.106 9.333 1.00 0.00 C ATOM 112 CZ2 TRP A 6 23.833 5.079 10.680 1.00 0.00 C ATOM 113 CZ3 TRP A 6 25.281 7.009 10.712 1.00 0.00 C ATOM 114 CH2 TRP A 6 24.567 6.001 11.373 1.00 0.00 C ATOM 0 H TRP A 6 24.859 4.096 5.560 1.00 0.00 H new ATOM 0 HA TRP A 6 25.559 6.570 4.076 1.00 0.00 H new ATOM 0 HB2 TRP A 6 25.526 7.540 6.474 1.00 0.00 H new ATOM 0 HB3 TRP A 6 24.017 7.342 5.604 1.00 0.00 H new ATOM 0 HD1 TRP A 6 23.097 4.477 6.178 1.00 0.00 H new ATOM 0 HE1 TRP A 6 22.594 3.593 8.556 1.00 0.00 H new ATOM 0 HE3 TRP A 6 25.825 7.886 8.832 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 23.283 4.304 11.192 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 25.850 7.723 11.290 1.00 0.00 H new ATOM 0 HH2 TRP A 6 24.597 5.951 12.451 1.00 0.00 H new ATOM 125 N TRP A 7 27.396 4.441 5.266 1.00 0.00 N ATOM 126 CA TRP A 7 28.728 3.993 5.619 1.00 0.00 C ATOM 127 C TRP A 7 29.353 3.192 4.474 1.00 0.00 C ATOM 128 O TRP A 7 30.469 2.687 4.598 1.00 0.00 O ATOM 129 CB TRP A 7 28.659 3.142 6.886 1.00 0.00 C ATOM 130 CG TRP A 7 27.853 1.891 6.713 1.00 0.00 C ATOM 131 CD1 TRP A 7 26.523 1.731 6.980 1.00 0.00 C ATOM 132 CD2 TRP A 7 28.323 0.625 6.237 1.00 0.00 C ATOM 133 NE1 TRP A 7 26.137 0.444 6.698 1.00 0.00 N ATOM 134 CE2 TRP A 7 27.224 -0.255 6.240 1.00 0.00 C ATOM 135 CE3 TRP A 7 29.565 0.150 5.807 1.00 0.00 C ATOM 136 CZ2 TRP A 7 27.331 -1.581 5.830 1.00 0.00 C ATOM 137 CZ3 TRP A 7 29.669 -1.167 5.401 1.00 0.00 C ATOM 138 CH2 TRP A 7 28.558 -2.019 5.414 1.00 0.00 C ATOM 0 H TRP A 7 26.795 3.704 4.897 1.00 0.00 H new ATOM 0 HA TRP A 7 29.357 4.864 5.802 1.00 0.00 H new ATOM 0 HB2 TRP A 7 29.670 2.875 7.192 1.00 0.00 H new ATOM 0 HB3 TRP A 7 28.228 3.736 7.692 1.00 0.00 H new ATOM 0 HD1 TRP A 7 25.870 2.504 7.358 1.00 0.00 H new ATOM 0 HE1 TRP A 7 25.195 0.069 6.811 1.00 0.00 H new ATOM 0 HE3 TRP A 7 30.427 0.800 5.792 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 26.476 -2.240 5.840 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 30.624 -1.546 5.068 1.00 0.00 H new ATOM 0 HH2 TRP A 7 28.672 -3.043 5.089 1.00 0.00 H new ATOM 149 N TRP A 8 28.629 3.083 3.353 1.00 0.00 N ATOM 150 CA TRP A 8 29.111 2.357 2.195 1.00 0.00 C ATOM 151 C TRP A 8 30.251 3.097 1.477 1.00 0.00 C ATOM 152 O TRP A 8 31.109 2.462 0.870 1.00 0.00 O ATOM 153 CB TRP A 8 27.956 2.121 1.221 1.00 0.00 C ATOM 154 CG TRP A 8 27.960 3.056 0.055 1.00 0.00 C ATOM 155 CD1 TRP A 8 28.616 2.894 -1.118 1.00 0.00 C ATOM 156 CD2 TRP A 8 27.294 4.304 -0.026 1.00 0.00 C ATOM 157 NE1 TRP A 8 28.374 3.963 -1.949 1.00 0.00 N ATOM 158 CE2 TRP A 8 27.561 4.848 -1.294 1.00 0.00 C ATOM 159 CE3 TRP A 8 26.491 5.004 0.854 1.00 0.00 C ATOM 160 CZ2 TRP A 8 27.041 6.074 -1.699 1.00 0.00 C ATOM 161 CZ3 TRP A 8 25.975 6.217 0.462 1.00 0.00 C ATOM 162 CH2 TRP A 8 26.248 6.745 -0.808 1.00 0.00 C ATOM 0 H TRP A 8 27.703 3.495 3.234 1.00 0.00 H new ATOM 0 HA TRP A 8 29.509 1.405 2.546 1.00 0.00 H new ATOM 0 HB2 TRP A 8 28.004 1.096 0.855 1.00 0.00 H new ATOM 0 HB3 TRP A 8 27.012 2.225 1.757 1.00 0.00 H new ATOM 0 HD1 TRP A 8 29.239 2.048 -1.366 1.00 0.00 H new ATOM 0 HE1 TRP A 8 28.739 4.077 -2.895 1.00 0.00 H new ATOM 0 HE3 TRP A 8 26.272 4.605 1.834 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 27.255 6.479 -2.677 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 25.349 6.773 1.144 1.00 0.00 H new ATOM 0 HH2 TRP A 8 25.825 7.698 -1.088 1.00 0.00 H new ATOM 173 N PRO A 9 30.265 4.448 1.495 1.00 0.00 N ATOM 174 CA PRO A 9 31.275 5.241 0.822 1.00 0.00 C ATOM 175 C PRO A 9 32.661 4.595 0.833 1.00 0.00 C ATOM 176 O PRO A 9 33.440 4.758 -0.107 1.00 0.00 O ATOM 177 CB PRO A 9 31.290 6.559 1.618 1.00 0.00 C ATOM 178 CG PRO A 9 30.182 6.444 2.619 1.00 0.00 C ATOM 179 CD PRO A 9 29.302 5.336 2.125 1.00 0.00 C ATOM 0 HA PRO A 9 31.040 5.362 -0.235 1.00 0.00 H new ATOM 0 HB2 PRO A 9 32.250 6.706 2.113 1.00 0.00 H new ATOM 0 HB3 PRO A 9 31.136 7.415 0.961 1.00 0.00 H new ATOM 0 HG2 PRO A 9 30.573 6.220 3.612 1.00 0.00 H new ATOM 0 HG3 PRO A 9 29.627 7.379 2.698 1.00 0.00 H new ATOM 0 HD2 PRO A 9 28.766 4.847 2.938 1.00 0.00 H new ATOM 0 HD3 PRO A 9 28.553 5.693 1.419 1.00 0.00 H new ATOM 187 N PHE A 10 32.963 3.871 1.908 1.00 0.00 N ATOM 188 CA PHE A 10 34.256 3.210 2.052 1.00 0.00 C ATOM 189 C PHE A 10 34.295 1.874 1.310 1.00 0.00 C ATOM 190 O PHE A 10 35.307 1.529 0.699 1.00 0.00 O ATOM 191 CB PHE A 10 34.573 2.990 3.532 1.00 0.00 C ATOM 192 CG PHE A 10 34.425 4.229 4.367 1.00 0.00 C ATOM 193 CD1 PHE A 10 35.286 5.302 4.197 1.00 0.00 C ATOM 194 CD2 PHE A 10 33.426 4.321 5.322 1.00 0.00 C ATOM 195 CE1 PHE A 10 35.153 6.444 4.964 1.00 0.00 C ATOM 196 CE2 PHE A 10 33.288 5.460 6.093 1.00 0.00 C ATOM 197 CZ PHE A 10 34.153 6.523 5.913 1.00 0.00 C ATOM 0 H PHE A 10 32.328 3.727 2.693 1.00 0.00 H new ATOM 0 HA PHE A 10 35.010 3.862 1.610 1.00 0.00 H new ATOM 0 HB2 PHE A 10 33.914 2.216 3.925 1.00 0.00 H new ATOM 0 HB3 PHE A 10 35.593 2.618 3.625 1.00 0.00 H new ATOM 0 HD1 PHE A 10 36.070 5.245 3.456 1.00 0.00 H new ATOM 0 HD2 PHE A 10 32.747 3.493 5.466 1.00 0.00 H new ATOM 0 HE1 PHE A 10 35.830 7.273 4.821 1.00 0.00 H new ATOM 0 HE2 PHE A 10 32.505 5.519 6.835 1.00 0.00 H new ATOM 0 HZ PHE A 10 34.047 7.414 6.514 1.00 0.00 H new ATOM 207 N LEU A 11 33.198 1.121 1.366 1.00 0.00 N ATOM 208 CA LEU A 11 33.140 -0.178 0.692 1.00 0.00 C ATOM 209 C LEU A 11 33.104 -0.007 -0.822 1.00 0.00 C ATOM 210 O LEU A 11 33.004 1.110 -1.330 1.00 0.00 O ATOM 211 CB LEU A 11 31.920 -0.986 1.154 1.00 0.00 C ATOM 212 CG LEU A 11 30.590 -0.238 1.098 1.00 0.00 C ATOM 213 CD1 LEU A 11 30.195 0.058 -0.341 1.00 0.00 C ATOM 214 CD2 LEU A 11 29.493 -1.023 1.802 1.00 0.00 C ATOM 0 H LEU A 11 32.347 1.382 1.864 1.00 0.00 H new ATOM 0 HA LEU A 11 34.043 -0.726 0.961 1.00 0.00 H new ATOM 0 HB2 LEU A 11 31.842 -1.882 0.538 1.00 0.00 H new ATOM 0 HB3 LEU A 11 32.090 -1.318 2.178 1.00 0.00 H new ATOM 0 HG LEU A 11 30.718 0.710 1.620 1.00 0.00 H new ATOM 0 HD11 LEU A 11 29.244 0.591 -0.355 1.00 0.00 H new ATOM 0 HD12 LEU A 11 30.963 0.673 -0.810 1.00 0.00 H new ATOM 0 HD13 LEU A 11 30.094 -0.878 -0.890 1.00 0.00 H new ATOM 0 HD21 LEU A 11 28.556 -0.468 1.748 1.00 0.00 H new ATOM 0 HD22 LEU A 11 29.370 -1.991 1.317 1.00 0.00 H new ATOM 0 HD23 LEU A 11 29.766 -1.173 2.847 1.00 0.00 H new ATOM 226 N ARG A 12 33.183 -1.123 -1.539 1.00 0.00 N ATOM 227 CA ARG A 12 33.157 -1.103 -2.997 1.00 0.00 C ATOM 228 C ARG A 12 33.142 -2.520 -3.559 1.00 0.00 C ATOM 229 O ARG A 12 33.749 -3.430 -2.995 1.00 0.00 O ATOM 230 CB ARG A 12 34.367 -0.339 -3.540 1.00 0.00 C ATOM 231 CG ARG A 12 34.230 0.053 -5.003 1.00 0.00 C ATOM 232 CD ARG A 12 33.160 1.114 -5.196 1.00 0.00 C ATOM 233 NE ARG A 12 33.523 2.074 -6.235 1.00 0.00 N ATOM 234 CZ ARG A 12 32.959 3.273 -6.367 1.00 0.00 C ATOM 235 NH1 ARG A 12 32.007 3.663 -5.528 1.00 0.00 N ATOM 236 NH2 ARG A 12 33.349 4.085 -7.341 1.00 0.00 N ATOM 0 H ARG A 12 33.266 -2.055 -1.133 1.00 0.00 H new ATOM 0 HA ARG A 12 32.245 -0.596 -3.313 1.00 0.00 H new ATOM 0 HB2 ARG A 12 34.516 0.561 -2.943 1.00 0.00 H new ATOM 0 HB3 ARG A 12 35.259 -0.953 -3.419 1.00 0.00 H new ATOM 0 HG2 ARG A 12 35.185 0.426 -5.372 1.00 0.00 H new ATOM 0 HG3 ARG A 12 33.982 -0.828 -5.595 1.00 0.00 H new ATOM 0 HD2 ARG A 12 32.217 0.634 -5.459 1.00 0.00 H new ATOM 0 HD3 ARG A 12 32.998 1.641 -4.256 1.00 0.00 H new ATOM 0 HE ARG A 12 34.251 1.811 -6.899 1.00 0.00 H new ATOM 0 HH11 ARG A 12 31.704 3.043 -4.777 1.00 0.00 H new ATOM 0 HH12 ARG A 12 31.579 4.583 -5.634 1.00 0.00 H new ATOM 0 HH21 ARG A 12 34.080 3.791 -7.988 1.00 0.00 H new ATOM 0 HH22 ARG A 12 32.917 5.004 -7.443 1.00 0.00 H new ATOM 250 N ARG A 13 32.442 -2.700 -4.674 1.00 0.00 N ATOM 251 CA ARG A 13 32.348 -4.008 -5.313 1.00 0.00 C ATOM 252 C ARG A 13 33.728 -4.519 -5.713 1.00 0.00 C ATOM 253 O ARG A 13 34.684 -3.715 -5.696 1.00 0.00 O ATOM 254 CB ARG A 13 31.439 -3.934 -6.542 1.00 0.00 C ATOM 255 CG ARG A 13 30.425 -5.064 -6.620 1.00 0.00 C ATOM 256 CD ARG A 13 31.099 -6.425 -6.541 1.00 0.00 C ATOM 257 NE ARG A 13 30.206 -7.503 -6.957 1.00 0.00 N ATOM 258 CZ ARG A 13 30.394 -8.784 -6.646 1.00 0.00 C ATOM 259 NH1 ARG A 13 31.441 -9.150 -5.918 1.00 0.00 N ATOM 260 NH2 ARG A 13 29.532 -9.701 -7.065 1.00 0.00 N ATOM 261 OXT ARG A 13 33.842 -5.720 -6.040 1.00 0.00 O ATOM 0 H ARG A 13 31.932 -1.958 -5.153 1.00 0.00 H new ATOM 0 HA ARG A 13 31.918 -4.706 -4.595 1.00 0.00 H new ATOM 0 HB2 ARG A 13 30.909 -2.982 -6.534 1.00 0.00 H new ATOM 0 HB3 ARG A 13 32.056 -3.948 -7.441 1.00 0.00 H new ATOM 0 HG2 ARG A 13 29.706 -4.965 -5.807 1.00 0.00 H new ATOM 0 HG3 ARG A 13 29.865 -4.988 -7.552 1.00 0.00 H new ATOM 0 HD2 ARG A 13 31.988 -6.427 -7.172 1.00 0.00 H new ATOM 0 HD3 ARG A 13 31.433 -6.605 -5.519 1.00 0.00 H new ATOM 0 HE ARG A 13 29.390 -7.260 -7.519 1.00 0.00 H new ATOM 0 HH11 ARG A 13 32.107 -8.449 -5.594 1.00 0.00 H new ATOM 0 HH12 ARG A 13 31.580 -10.133 -5.683 1.00 0.00 H new ATOM 0 HH21 ARG A 13 28.726 -9.425 -7.625 1.00 0.00 H new ATOM 0 HH22 ARG A 13 29.676 -10.682 -6.827 1.00 0.00 H new TER 275 ARG A 13